SCHEMBL22477559

SCHEMBL22477559

CCCCN1CCC/C1=C\C=C\C#N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20653841 0.71 MEN1 (0.36) ALDH1A1MEN1KMT2A
Fluoride SCHEMBL30330026 0.70 MEN1 (0.35) ALDH1A1MEN1KMT2A
Fluoride SCHEMBL30329926 0.69 ALOX5 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL19058029 0.69 MEN1 (0.46) ALDH1A1NPSR1MEN1KMT2A
SCHEMBL14818808 0.68 MEN1 (0.40) MEN1KMT2A
SCHEMBL21190999 0.68 MEN1 (0.33) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL30330243 0.68 ALOX5 (0.36) ALDH1A1MEN1KMT2A
Fluoride SCHEMBL30329870 0.68 ALOX5 (0.36) MEN1KMT2A
Fluoride SCHEMBL30329848 0.68 ALOX5 (0.36) MEN1KMT2A
Fluoride SCHEMBL30330085 0.68 ALOX5 (0.36) MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020196282-A1 ADHESIVE COMPOSITION 住友化学株式会社 2020-10-01 — — WO disclosed
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